Cas no 106420-93-3 (Benzoic acid,2-hydroxy-4-(hydroxymethyl)-)

Benzoic acid,2-hydroxy-4-(hydroxymethyl)- structure
106420-93-3 structure
Product Name:Benzoic acid,2-hydroxy-4-(hydroxymethyl)-
CAS No:106420-93-3
MF:C8H8O4
MW:168.146722793579
CID:206372
PubChem ID:656883
Update Time:2025-04-19

Benzoic acid,2-hydroxy-4-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-hydroxy-4-(hydroxymethyl)-
    • 2,4-Cresoticacid, a-hydroxy- (6CI)
    • 2-hydroxy-4-(hydroxymethyl)benzoic acid
    • 4-Hydroxymethylsalicylate
    • 4-hydroxymethyl-2-hydroxybenzoic acid
    • 2-hydroxy-4-(hydroxymethyl)benzoicacid
    • DSQWHAJLUOQMFI-UHFFFAOYSA-N
    • SCHEMBL1401513
    • 4-hydroxymethylsalicylic acid
    • DTXSID00349663
    • 106420-93-3
    • CHEBI:20415
    • FT-0768439
    • Q27109298
    • 2-Hydroxy-4-hydroxymethylbenzoic acid
    • Inchi： 1S/C8H8O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2,(H,11,12)
    • InChI Key： DSQWHAJLUOQMFI-UHFFFAOYSA-N
    • SMILES： OC1C=C(CO)C=CC=1C(=O)O

Computed Properties

  • Exact Mass: 168.04224
  • Monoisotopic Mass: 168.042259
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 77.8

Experimental Properties

  • Density: 1.472
  • Boiling Point: 395.5°C at 760 mmHg
  • Flash Point: 207.2°C
  • Refractive Index: 1.647
  • PSA: 77.76
  • LogP: 0.58270

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